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208399-66-0

208399-66-0 | Boronic acid, B-(4-methoxy-2-methylphenyl)-

CAS No: 208399-66-0 Catalog No: AG002JNG MDL No:MFCD02684315

Product Description

Catalog Number:
AG002JNG
Chemical Name:
Boronic acid, B-(4-methoxy-2-methylphenyl)-
CAS Number:
208399-66-0
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD02684315
IUPAC Name:
(4-methoxy-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
AMSQNQJCBXQYEX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)B(O)O

Properties

Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Synthesis, conformational stability, and asymmetric transformation of atropisomeric 1,8-bisphenolnaphthalenes. The Journal of organic chemistry 20110520

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